Geometry & MOs

Info

ID:	417588
PubChem CID:	135102155
Reduced:	O5N6C27H34 (1)
Stoich.:	A5B6C27D34 (1)
Weight, g/mol:	352.15537
ΔH_f, kcal/mol:	-137.0
Dipole, Da:	7.85
IP(EA), eV:	-9.23(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5R)-N-(3-chloro-4-methoxyphenyl)-4-methoxy-7-azaspiro[4.5]decane-7-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)NCCCN(CC2=CN(CCCOC3=C(C=CC(=C3)C)C(=O)N1)N=N2)C(=O)C4=C(OC(=C4)C)C

DOS

IR

Vibrations